Information card for entry 4063720

Structure parameters

• Formula: C21 H15 Fe3 O11 Ru2
• Calculated formula: C21 H15 Fe3 O11 Ru2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ru]2345([Ru]12[Fe]3(C#[O])(C#[O])(C#[O])[Fe]1(C#[O])(C#[O])(C#[O])[Fe]23(C#[O])(C#[O])C#[O])(C#[O])C#[O])C)C)C)C
• Title of publication: Synthesis and Structure of [Cp*Ru(CO)2(μ-H){RuFe3(CO)9}]: An Unusual Mixed-Metal Tetrahedral Cluster with an Exopolyhedral Metal Fragment
• Authors of publication: Geetharani, K.; Bose, Shubhankar Kumar; Ghosh, Sundargopal
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 1
• Pages of publication: 191
• a: 8.4863 ± 0.0002 Å
• b: 27.3559 ± 0.0008 Å
• c: 11.5806 ± 0.0003 Å
• α: 90°
• β: 100.671 ± 0.001°
• γ: 90°
• Cell volume: 2641.95 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No